BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1485
NameBerberine acetonic
Pubchem ID24181551
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight360.81
Exact mass360.100261
Molecular formulaC19H19ClNO4-
XlogPN/A
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3.[Cl-]
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.[Cl-]
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